4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one

C11H19N3O — CID 63602855

IUPAC4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one
SMILES[H]/N=C(\C1CCCC1)N1CCNC(=O)C1C
InChIInChI=1S/C11H19N3O/c1-8-11(15)13-6-7-14(8)10(12)9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,15)/b12-10+
InChIKeyGMCFFFJBGHKJJL-ZRDIBKRKSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds1

About 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one

4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one (PubChem CID 63602855) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one
PubChem CID63602855
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one
SMILES[H]/N=C(\C1CCCC1)N1CCNC(=O)C1C
InChIInChI=1S/C11H19N3O/c1-8-11(15)13-6-7-14(8)10(12)9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,15)/b12-10+
InChIKeyGMCFFFJBGHKJJL-ZRDIBKRKSA-N
XLogP0.97
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one (CID 63602855) is 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one is [H]/N=C(\C1CCCC1)N1CCNC(=O)C1C.
What is the InChIKey of 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one?
The InChIKey is GMCFFFJBGHKJJL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-11(15)13-6-7-14(8)10(12)9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,15)/b12-10+.
What are the key properties of 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one?
4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarboximidoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63602855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).